4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride

C19H22Cl2FNS — CID 12694046

IUPAC4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride
SMILESCN1CCC(SCc2ccccc2Cl)(c2ccccc2F)CC1.Cl
InChIInChI=1S/C19H21ClFNS.ClH/c1-22-12-10-19(11-13-22,16-7-3-5-9-18(16)21)23-14-15-6-2-4-8-17(15)20;/h2-9H,10-14H2,1H3;1H
InChIKeyFLZAYOBNERNFDG-UHFFFAOYSA-N
MW386.36 g/mol
LogP5.76
Rot. Bonds4

About 4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride

4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride (PubChem CID 12694046) has the molecular formula C19H22Cl2FNS and a molecular weight of 386.36 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride
PubChem CID12694046
Molecular FormulaC19H22Cl2FNS
Molecular Weight386.36 g/mol
Exact Mass385.08
IUPAC Name4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride
SMILESCN1CCC(SCc2ccccc2Cl)(c2ccccc2F)CC1.Cl
InChIInChI=1S/C19H21ClFNS.ClH/c1-22-12-10-19(11-13-22,16-7-3-5-9-18(16)21)23-14-15-6-2-4-8-17(15)20;/h2-9H,10-14H2,1H3;1H
InChIKeyFLZAYOBNERNFDG-UHFFFAOYSA-N
XLogP5.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.36
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride (CID 12694046) is 4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride is CN1CCC(SCc2ccccc2Cl)(c2ccccc2F)CC1.Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride?
The InChIKey is FLZAYOBNERNFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNS.ClH/c1-22-12-10-19(11-13-22,16-7-3-5-9-18(16)21)23-14-15-6-2-4-8-17(15)20;/h2-9H,10-14H2,1H3;1H.
What are the key properties of 4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride?
4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride has a molecular weight of 386.36 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-1-methylpiperidine;hydrochloride is sourced from PubChem (CID 12694046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).